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CHEBI:87772 - (4Z)-2-oxohept-4-enedioic acid

Default Structure
ChEBI IDCHEBI:87772
ChEBI Name(4Z)-2-oxohept-4-enedioic acid
Stars
ASCII Name(4Z)-2-oxohept-4-enedioic acid
DefinitionAn oxo dicarboxylic acid that is (4Z)-hept-4-enedioic acid substituted at position 2 by an oxo group.
Last Modified24 February 2022
SubmitterSteve
DownloadsMolfile
FormulaC7H8O5
Net Charge0
Average Mass172.136
Monoisotopic Mass172.03717
SMILESO=C(O)C/C=C\CC(=O)C(=O)O
InChIInChI=1S/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,9,10)(H,11,12)/b2-1-
InChIKeyICGKEQXHPZUYSF-UPHRSURJSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(4Z)-2-oxohept-4-enedioic acid (CHEBI:87772) is a dicarboxylic fatty acid (CHEBI:189840)
(4Z)-2-oxohept-4-enedioic acid (CHEBI:87772) is a olefinic compound (CHEBI:78840)
(4Z)-2-oxohept-4-enedioic acid (CHEBI:87772) is a oxo dicarboxylic acid (CHEBI:36145)
(4Z)-2-oxohept-4-enedioic acid (CHEBI:87772) is conjugate acid of (4Z)-2-oxohept-4-enedioate (CHEBI:87507)
(4Z)-2-oxohept-4-enedioic acid (CHEBI:87772) is tautomer of (2Z,4Z)-2-hydroxyhepta-2,4-dienedioic acid (CHEBI:87771)
Incoming Relation(s)
(4Z)-2-oxohept-4-enedioate (CHEBI:87507) is conjugate base of (4Z)-2-oxohept-4-enedioic acid (CHEBI:87772)
(2Z,4Z)-2-hydroxyhepta-2,4-dienedioic acid (CHEBI:87771) is tautomer of (4Z)-2-oxohept-4-enedioic acid (CHEBI:87772)
IUPAC Name 
(3Z)-6-oxohept-3-enedioic acid
Registry NumbersSources
Reaxys:8201887Reaxys